SCHEMBL13852005

SCHEMBL13852005

CN1CC=C(/C=C\N)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CHAT P28329 1/20 0.49
QDPR P09417 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20171557 0.77 KMT2A (0.49) KMT2ANPC1RAB9AALDH1A1CHAT
SCHEMBL13229286 0.76 KMT2A (0.48) KMT2ANPC1RAB9AALDH1A1CHAT
SCHEMBL2194891 0.75
SCHEMBL11792652 0.74 KMT2A (0.80) KMT2ANPC1RAB9AALDH1A1CHAT
SCHEMBL11792658 0.74 KMT2A (0.80) KMT2ANPC1RAB9AALDH1A1CHAT
Hydrochloric Acid SCHEMBL11789363 0.73 KMT2A (0.83) KMT2ANPC1RAB9AALDH1A1CHAT
Hydrochloric Acid SCHEMBL11789369 0.73 KMT2A (0.83) KMT2ANPC1RAB9AALDH1A1CHAT
SCHEMBL10261965 0.72 KMT2A (0.67) KMT2ANPC1RAB9AALDH1A1CHAT
SCHEMBL9499887 0.71 KMT2A (0.43) KMT2ANPC1RAB9AALDH1A1CHAT
SCHEMBL11798383 0.70 KMT2A (0.97) KMT2ANPC1RAB9AALDH1A1CHAT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338443-B2 Chemical compounds SYNGENTA CROP PROTECTION LLC (US) 2012-12-25 US disclosed
US-20090118295-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC (US) 2009-05-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090118295-A1 CHEMICAL COMPOUNDS MRM1, MNS1, CHRM1 KMT2A 990/4885NPC1 1763/4885RAB9A 93/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.